N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine

C14H29NO — CID 62723573

IUPACN-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCOCCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-4-16-11-10-14(12-15-13(2)3)8-6-5-7-9-14/h13,15H,4-12H2,1-3H3
InChIKeyMRLJEXLSMQIAMJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 62723573) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID62723573
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCOCCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-4-16-11-10-14(12-15-13(2)3)8-6-5-7-9-14/h13,15H,4-12H2,1-3H3
InChIKeyMRLJEXLSMQIAMJ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine (CID 62723573) is N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine is CCOCCC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is MRLJEXLSMQIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-16-11-10-14(12-15-13(2)3)8-6-5-7-9-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62723573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).